REMARK Name = BDB055511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.039 0.383 -0.859 0.00 0.00 +0.000 A ATOM 2 C LIG 1 2.374 1.601 -1.011 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.994 1.657 -1.208 0.00 0.00 +0.056 A ATOM 4 C LIG 1 0.232 0.471 -1.212 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.154 0.198 -1.394 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -1.332 -1.180 -1.299 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -0.081 -1.760 -1.119 0.00 0.00 -0.312 N ATOM 8 C LIG 1 0.881 -0.750 -1.026 0.00 0.00 +0.055 A ATOM 9 C LIG 1 2.284 -0.808 -0.878 0.00 0.00 +0.034 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.225 1.155 -1.643 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -2.514 2.067 -0.633 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -3.566 3.054 -0.867 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -3.430 4.266 0.069 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -3.421 3.941 1.507 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -2.791 4.587 1.981 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -3.000 2.554 1.764 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -2.003 1.982 0.740 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -2.840 1.132 -2.706 0.00 0.00 -0.270 OA ENDBRANCH 5 10 BRANCH 7 19 ATOM 19 C LIG 1 0.199 -3.153 -1.040 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -0.295 -4.021 -2.020 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -0.011 -5.386 -1.944 0.00 0.00 +0.002 A ATOM 22 C LIG 1 0.765 -5.882 -0.896 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.263 -5.016 0.077 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.986 -3.650 0.007 0.00 0.00 +0.026 A ENDBRANCH 7 19 BRANCH 2 25 ATOM 25 O LIG 1 3.017 2.807 -0.997 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 3.877 2.705 -0.560 0.00 0.00 +0.292 HD ENDBRANCH 2 25 BRANCH 1 27 ATOM 27 C LIG 1 4.546 0.281 -0.727 0.00 0.00 +0.074 C BRANCH 27 30 ATOM 28 C LIG 1 7.043 1.978 -0.666 0.00 0.00 +0.047 C ATOM 29 C LIG 1 6.301 1.610 0.589 0.00 0.00 -0.012 A ATOM 30 C LIG 1 5.126 0.825 0.569 0.00 0.00 -0.037 A ATOM 31 C LIG 1 4.512 0.495 1.794 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.018 0.961 3.009 0.00 0.00 +0.003 A ATOM 33 C LIG 1 6.157 1.757 3.021 0.00 0.00 +0.038 A ATOM 34 C LIG 1 6.786 2.071 1.822 0.00 0.00 +0.127 A ATOM 35 F LIG 1 7.888 2.835 1.865 0.00 0.00 -0.205 F ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 6 36 ATOM 36 C LIG 1 -2.645 -1.926 -1.279 0.00 0.00 +0.090 C BRANCH 36 37 ATOM 37 C LIG 1 -3.460 -1.655 -0.020 0.00 0.00 -0.036 A ATOM 38 C LIG 1 -4.780 -1.154 -0.057 0.00 0.00 -0.012 A ATOM 39 C LIG 1 -5.495 -0.853 -1.345 0.00 0.00 +0.047 C ATOM 40 C LIG 1 -5.448 -0.922 1.155 0.00 0.00 +0.127 A ATOM 41 F LIG 1 -6.695 -0.428 1.149 0.00 0.00 -0.205 F ATOM 42 C LIG 1 -4.857 -1.196 2.384 0.00 0.00 +0.038 A ATOM 43 C LIG 1 -3.572 -1.721 2.425 0.00 0.00 +0.003 A ATOM 44 C LIG 1 -2.884 -1.953 1.234 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7